%chk=000068759.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068759

0 1
 S   -3.567200     -0.9063000     -8.5299999E-02
 O  -0.1087000       2.231200     -0.7879000    
 O   -4.567700      -1.298900      -1.312200    
 O    3.008900      -1.836100       1.156800    
 O   -4.303800     -0.9887000       1.162600    
 O   -2.306900      -1.602400     -0.2707000    
 O    3.814000      -1.788200     -0.9623000    
 N   -1.266400      0.9830000      0.7923000    
 N    4.773200      0.7539000     -0.4984000    
 C    2.355400       1.021700     -0.2188000    
 C    1.094800      0.6039000      0.5411000    
 C    3.614700      0.3017000      0.2760000    
 C   -2.571700       1.554100      0.5542000    
 C   -3.344300      0.7938000     -0.5067000    
 C  -0.1347000       1.375500      9.2399999E-02
 C    3.510600      -1.198200      6.7100003E-02
 H    2.201200      0.8240000      -1.288600    
 H    2.493000       2.106700     -0.1196000    
 H    1.232200      0.7715000       1.615800    
 H   0.8855000     -0.4602000      0.3842000    
 H    3.803400      0.5064000       1.335300    
 H   -2.456700       2.600500      0.2520000    
 H   -3.105200       1.535500       1.510300    
 H   -2.824700      0.8242000      -1.470100    
 H   -4.337500       1.237900     -0.6266000    
 H   -1.186600      0.2591000       1.500700    
 H    4.892600       1.758800     -0.3736000    
 H    4.599700      0.6173000      -1.494100    
 H   -5.481100     -0.9327000      -1.248700    
 H    2.931200      -2.802900       1.010700    


%chk=000068759-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068759

0 1
S -4.094831 -0.665427 -0.061110
O -0.017663 2.680350 0.227091
O -3.776569 -1.207254 -1.809093
O 3.248042 -1.726548 1.223242
O -5.679733 -0.722321 0.246693
O -3.081987 -1.450741 0.941048
O 3.947637 -1.899244 -0.983051
N -1.298638 0.842921 0.843134
N 4.700979 0.789642 -0.909425
C 2.228123 0.886958 -0.316406
C 1.150575 0.571361 0.744903
C 3.660177 0.342134 0.022291
C -2.557087 1.586141 0.776960
C -3.457592 1.150261 -0.378687
C -0.084383 1.458838 0.572238
C 3.656943 -1.183185 0.000379
H 1.922933 0.507271 -1.310711
H 2.307343 1.987312 -0.399743
H 1.567340 0.774056 1.752789
H 0.869969 -0.497180 0.735879
H 3.906731 0.661665 1.052992
H -2.281345 2.645019 0.595191
H -3.097469 1.531817 1.740096
H -2.929691 1.060008 -1.339076
H -4.396801 1.719394 -0.462752
H -1.353088 -0.148481 1.099765
H 4.706339 1.794359 -1.096205
H 4.793974 0.203878 -1.744396
H -4.152197 -2.126307 -1.931163
H 3.239170 -2.720596 1.155028


